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CHEBI:50593 - 3-dehydro-4-methylzymosterol

ChEBI IDCHEBI:50593
ChEBI Name3-dehydro-4-methylzymosterol
Stars
DefinitionA 3-oxo-5α- steroid that is zymosterol which has been substituted by a methyl group at C-4, and in which the 3-hydroxy function has been oxidised to an oxo group.
Last Modified16 July 2021
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC28H44O
Net Charge0
Average Mass396.659
Monoisotopic Mass396.33922
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCC=C(C)C)[C@@]1(C)CCC1=C2CC[C@@]2([H])C(C)C(=O)CC[C@]12C
InChIInChI=1S/C28H44O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h8,19-20,22-24H,7,9-17H2,1-6H3/t19-,20?,22-,23+,24+,27-,28+/m1/s1
InChIKeyDBPZYKHQDWKORQ-MWEYQPRESA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Roles:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
3-dehydro-4-methylzymosterol (CHEBI:50593) has functional parent zymosterol (CHEBI:18252)
3-dehydro-4-methylzymosterol (CHEBI:50593) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
3-dehydro-4-methylzymosterol (CHEBI:50593) has role human metabolite (CHEBI:77746)
3-dehydro-4-methylzymosterol (CHEBI:50593) has role mouse metabolite (CHEBI:75771)
3-dehydro-4-methylzymosterol (CHEBI:50593) is a 3-oxo-5α-steroid (CHEBI:13601)
3-dehydro-4-methylzymosterol (CHEBI:50593) is a cholestanoid (CHEBI:50401)
Incoming Relation(s)
3-dehydro-4α-methylzymosterol (CHEBI:136486) is a 3-dehydro-4-methylzymosterol (CHEBI:50593)
IUPAC Name 
4-methyl-5α-cholesta-8,24-dien-3-one
Synonyms  Source
3-Keto-4-methylzymosterolKEGG COMPOUND
(5α)-4-methylcholesta-8,24-dien-3-oneChEBI
4-methyl-5α-cholesta-8(9),24-dien-3-oneChEBI
UniProt Name  Source
3-dehydro-4-methylzymosterolUniProt
Manual XrefsDatabases
C15816KEGG COMPOUND